Methyaluminoxane (MAO) polymerization mechanism and kinetic model from Ab initio molecular dynamics and electronic structure calculations

Journal of the American Chemical Society

Volumn 128, Issue 51, 2006, Pages 16816-16826

  Negureanu, Lacramioara ^a   Hall, Randall W ^a   Butler, Leslie G ^a   Simeral, Larry A ^b  

^a LOUISIANA STATE UNIVERSITY   (United States)

^b Albemarle Corporation   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MOLECULAR DYNAMICS; ELECTRONIC STRUCTURE CALCULATIONS; METALLOCENE CATALYTIC SYSTEMS; METHYALUMINOXANE (MAO) POLYMERIZATION;

CATALYSTS; ELECTRONIC STRUCTURE; MOLECULAR DYNAMICS; MONOMERS; POLYMERIZATION; REACTION KINETICS;

PARAFFINS;

ALUMINUM DERIVATIVE; DIHYDROXYTRIMETHYLALUMINUM; METHANE; METHYLALUMINOXANE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; BINDING KINETICS; CHEMICAL COMPOSITION; CHEMICAL STRUCTURE; MOLECULAR DYNAMICS; POLYMERIZATION; STRUCTURE ANALYSIS;

EID: 33845925299     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja064545q     Document Type: Article

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